Found 998 hits with Last Name = 'qiao' and Initial = 'z' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50564217
(CHEMBL4783427)Show SMILES CCN(CCCCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(OCCCCN(CC)Cc3ccccc3)cc2o1)Cc1ccccc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 394 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mixed type inhibition of human AChE using acetylthiocholine as substrate by Line-weaver Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112180
BindingDB Entry DOI: 10.7270/Q2N301PX |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541281
(CHEMBL4649403)Show InChI InChI=1S/C19H16N4O2S/c1-25-14-4-2-3-12(7-14)10-23-11-22-18-15(19(23)24)9-16(26-18)13-5-6-21-17(20)8-13/h2-9,11H,10H2,1H3,(H2,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541285
(CHEMBL4645138)Show SMILES Fc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H13FN4OS/c21-13-3-1-2-12(8-13)10-25-11-24-19-16(20(25)26)9-17(27-19)14-4-6-22-18-15(14)5-7-23-18/h1-9,11H,10H2,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541283
(CHEMBL4638815)Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-3-13(9-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-5-7-22-19-16(15)6-8-23-19/h2-10,12H,11H2,1H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541273
(CHEMBL4636499)Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-16-4-2-3-13(7-16)11-25-12-22-20-17(21(25)26)9-19(28-20)14-5-6-18-15(8-14)10-23-24-18/h2-10,12H,11H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541287
(CHEMBL4638636)Show SMILES COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-13(3-5-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-6-8-22-19-16(15)7-9-23-19/h2-10,12H,11H2,1H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM15581
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAO-B |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112265
BindingDB Entry DOI: 10.7270/Q2W099J0 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604152
(CHEMBL5181908)Show SMILES CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50541283
(CHEMBL4638815)Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-3-13(9-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-5-7-22-19-16(15)6-8-23-19/h2-10,12H,11H2,1H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541289
(CHEMBL4634539)Show SMILES COc1cc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc(OC)c1 Show InChI InChI=1S/C22H18N4O3S/c1-28-14-7-13(8-15(9-14)29-2)11-26-12-25-21-18(22(26)27)10-19(30-21)16-3-5-23-20-17(16)4-6-24-20/h3-10,12H,11H2,1-2H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541288
(CHEMBL4648698)Show SMILES COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1OC Show InChI InChI=1S/C22H18N4O3S/c1-28-17-4-3-13(9-18(17)29-2)11-26-12-25-21-16(22(26)27)10-19(30-21)14-5-7-23-20-15(14)6-8-24-20/h3-10,12H,11H2,1-2H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519707
(CHEMBL4451007)Show SMILES CC(C)(C)c1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C25H23N3O6/c1-25(2,3)22-13-19(28-34-22)24(31)27-16-6-4-5-15(11-16)26-23(30)14-33-17-7-8-18-20(29)9-10-32-21(18)12-17/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519689
(CHEMBL4562184)Show SMILES Cc1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541290
(CHEMBL4649693)Show SMILES Nc1cc(ccn1)-c1cc2c(ncn(Cc3cccc(F)c3)c2=O)s1 Show InChI InChI=1S/C18H13FN4OS/c19-13-3-1-2-11(6-13)9-23-10-22-17-14(18(23)24)8-15(25-17)12-4-5-21-16(20)7-12/h1-8,10H,9H2,(H2,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604151
(CHEMBL5189961)Show SMILES CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604148
(CHEMBL5193097)Show SMILES COc1ccccc1NC(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541274
(CHEMBL4643315)Show InChI InChI=1S/C19H15N3O2S/c1-24-15-4-2-3-13(9-15)11-22-12-21-18-16(19(22)23)10-17(25-18)14-5-7-20-8-6-14/h2-10,12H,11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519685
(CHEMBL4446390)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C25H20N2O6/c1-31-19-7-5-16(6-8-19)25(30)27-18-4-2-3-17(13-18)26-24(29)15-33-20-9-10-21-22(28)11-12-32-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50541286
(CHEMBL4648713)Show SMILES FC(F)(F)c1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C21H13F3N4OS/c22-21(23,24)13-3-1-2-12(8-13)10-28-11-27-19-16(20(28)29)9-17(30-19)14-4-6-25-18-15(14)5-7-26-18/h1-9,11H,10H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human TrkC (510 to end residues) using GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintilla... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human TrkB (455 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scin... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519704
(CHEMBL4476505)Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H22N2O6/c1-2-32-20-8-6-17(7-9-20)26(31)28-19-5-3-4-18(14-19)27-25(30)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112180
BindingDB Entry DOI: 10.7270/Q2N301PX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20504
(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r| Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519688
(CHEMBL4445974)Show SMILES FC(F)(F)c1ncc(s1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C22H14F3N3O5S/c23-22(24,25)21-26-10-18(34-21)20(31)28-13-3-1-2-12(8-13)27-19(30)11-33-14-4-5-15-16(29)6-7-32-17(15)9-14/h1-10H,11H2,(H,27,30)(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466055
(CHEMBL4279118)Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F3N6O2/c1-31-22-19(21(27)28-12-29-22)20(30-31)15-5-6-17-14(11-15)7-8-32(17)18(33)10-13-3-2-4-16(9-13)34-23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466049
(CHEMBL4292454)Show SMILES CC(C)n1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C26H24F3N5O2/c1-15(2)34-13-20(23-24(30)31-14-32-25(23)34)17-6-7-21-18(12-17)8-9-33(21)22(35)11-16-4-3-5-19(10-16)36-26(27,28)29/h3-7,10,12-15H,8-9,11H2,1-2H3,(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466048
(CHEMBL4290735)Show SMILES CCCCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C27H26F3N5O2/c1-2-3-10-34-15-21(24-25(31)32-16-33-26(24)34)18-7-8-22-19(14-18)9-11-35(22)23(36)13-17-5-4-6-20(12-17)37-27(28,29)30/h4-8,12,14-16H,2-3,9-11,13H2,1H3,(H2,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604146
(CHEMBL5197188)Show SMILES Fc1ccc(cc1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604153
(CHEMBL5190729)Show SMILES [O-][N+](=O)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50541285
(CHEMBL4645138)Show SMILES Fc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H13FN4OS/c21-13-3-1-2-12(8-13)10-25-11-24-19-16(20(25)26)9-17(27-19)14-4-6-22-18-15(14)5-7-23-18/h1-9,11H,10H2,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466042
(CHEMBL4290948)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O2/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)34-24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50541287
(CHEMBL4638636)Show SMILES COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1 Show InChI InChI=1S/C21H16N4O2S/c1-27-14-4-2-13(3-5-14)11-25-12-24-20-17(21(25)26)10-18(28-20)15-6-8-22-19-16(15)7-9-23-19/h2-10,12H,11H2,1H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466059
(CHEMBL4289355)Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F3N6O/c1-31-22-19(21(27)28-12-29-22)20(30-31)15-5-6-17-14(11-15)7-8-32(17)18(33)10-13-3-2-4-16(9-13)23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519683
(CHEMBL4576394)Show SMILES CCCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C27H24N2O5/c1-2-4-18-7-9-19(10-8-18)27(32)29-21-6-3-5-20(15-21)28-26(31)17-34-22-11-12-23-24(30)13-14-33-25(23)16-22/h3,5-16H,2,4,17H2,1H3,(H,28,31)(H,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519684
(CHEMBL4453948)Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519686
(CHEMBL4467403)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C24H17N3O7/c28-21-10-11-33-22-13-19(8-9-20(21)22)34-14-23(29)25-16-2-1-3-17(12-16)26-24(30)15-4-6-18(7-5-15)27(31)32/h1-13H,14H2,(H,25,29)(H,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50604150
(CHEMBL5209020)Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50519712
(CHEMBL4586795)Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H18N2O5/c27-21-11-12-30-22-14-19(9-10-20(21)22)31-15-23(28)25-17-7-4-8-18(13-17)26-24(29)16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50519704
(CHEMBL4476505)Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H22N2O6/c1-2-32-20-8-6-17(7-9-20)26(31)28-19-5-3-4-18(14-19)27-25(30)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466067
(CHEMBL4285969)Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)CCc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H21F3N6O/c1-32-23-20(22(28)29-13-30-23)21(31-32)16-6-7-18-15(12-16)9-10-33(18)19(34)8-5-14-3-2-4-17(11-14)24(25,26)27/h2-4,6-7,11-13H,5,8-10H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50541281
(CHEMBL4649403)Show InChI InChI=1S/C19H16N4O2S/c1-25-14-4-2-3-12(7-14)10-23-11-22-18-15(19(23)24)9-16(26-18)13-5-6-21-17(20)8-13/h2-9,11H,10H2,1H3,(H2,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50466043
(CHEMBL4292027)Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-22-19(21(28)29-11-30-22)20(31-32)14-2-3-17-13(9-14)4-5-33(17)18(34)8-12-6-15(23(25,26)27)10-16(24)7-12/h2-3,6-7,9-11H,4-5,8H2,1H3,(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by sc... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50519685
(CHEMBL4446390)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C25H20N2O6/c1-31-19-7-5-16(6-8-19)25(30)27-18-4-2-3-17(13-18)26-24(29)15-33-20-9-10-21-22(28)11-12-32-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ... |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of electric eel AChE by Ellman's method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112180
BindingDB Entry DOI: 10.7270/Q2N301PX |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50466038
(CHEMBL4281823)Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University/Collaborative Innovation Center of Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Flt4 V1128L/H1146R double mutant (800 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of ... |
J Med Chem 61: 11398-11414 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50541273
(CHEMBL4636499)Show SMILES COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C21H16N4O2S/c1-27-16-4-2-3-13(7-16)11-25-12-22-20-17(21(25)26)9-19(28-20)14-5-6-18-15(8-14)10-23-24-18/h2-10,12H,11H2,1H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126966
BindingDB Entry DOI: 10.7270/Q2N58QX2 |
More data for this
Ligand-Target Pair | |
Search and Browse
